1CQF
THE COMPLEX OF THE MUTATED SHIGA TOXIN B SUBUNIT AND GB3 TRISACCHARIDE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-11-20 |
| Detector | MACSCIENCE |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.785, 73.561, 83.853 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.800 - 2.200 |
| R-factor | 0.181 |
| Rwork | 0.181 |
| R-free | 0.20000 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.040 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.800 | 2.230 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.052 | 0.228 |
| Number of reflections | 18719 | |
| <I/σ(I)> | 16.76 | |
| Completeness [%] | 92.1 | 75.7 |
| Redundancy | 1.5 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.2 M CaCl2, 26% PEG 400, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
